197718
3-Methyl-2-cyclohexen-1-ol
96%
Synonym(s):
(±)-3-Hydroxy-1-methylcyclohexene, (±)-3-Methyl-2-cyclohexen-1-ol, (±)-Seudenol, 1-Methyl-1-cyclohexen-3-ol, 1-Methyl-3-hydroxycyclohex-1-ene, 3-Hydroxy-1-methylcyclohexene, 3-Methyl-2-cyclohexen-1-ol, 3-Methyl-2-cyclohexenol
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About This Item
Linear Formula:
CH3C6H8OH
CAS Number:
Molecular Weight:
112.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
244-353-0
MDL number:
Assay:
96%
assay
96%
refractive index
n20/D 1.484 (lit.)
bp
56 °C/1 mmHg (lit.)
density
0.946 g/mL at 25 °C (lit.)
functional group
hydroxyl
SMILES string
CC1=CC(O)CCC1
InChI
1S/C7H12O/c1-6-3-2-4-7(8)5-6/h5,7-8H,2-4H2,1H3
InChI key
XNDZQQSKSQTQQD-UHFFFAOYSA-N
Application
3-Methyl-2-cyclohexen-1-ol was used in the synthesis of 19-nor-1α, 25-dihydroxyvitamin D(3) derivatives. It was also used in sex pheromone of the Douglas-fir beetle.
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
161.6 °F - closed cup
flash_point_c
72 °C - closed cup
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X Zhou et al.
Journal of medicinal chemistry, 42(18), 3539-3556 (1999-09-10)
The synthesis of four CD-ring-modified 19-nor-1alpha, 25-dihydroxyvitamin D(3) derivatives lacking C15, referred to as 6C analogues, and diastereomeric at C17 and C20 is described. The synthesis involves an Ireland-Claisen rearrangement of a 3-methyl-substituted ester of (1R)-3-methyl-2-cyclohexen-1-ol as the key step
Aldrichimica Acta, 16, 41-41 (1983)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 197718-1G | 04061837880476 |
| 197718-5G | 04061837880483 |